TAK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	N1	sing	1.47Å	1.50Å
C2	C3	sing	1.53Å	1.55Å
C3	C4	sing	1.53Å	1.57Å
C4	C5	sing	1.53Å	1.56Å
C5	N1	sing	1.47Å	1.49Å
N1	C6	sing	1.47Å	1.47Å
C6	C7	sing	1.53Å	1.52Å
C7	O1	sing	1.43Å	1.44Å
O1	C8	sing	1.36Å	1.39Å
C8	C9	doub	1.39Å	1.45Å	Aromatic
C8	C11	sing	1.39Å	1.43Å	Aromatic
C9	C10	sing	1.38Å	1.43Å	Aromatic
C10	C13	doub	1.39Å	1.45Å	Aromatic
C11	C12	doub	1.38Å	1.43Å	Aromatic
C12	C13	sing	1.39Å	1.46Å	Aromatic
C13	C14	sing	1.48Å	1.45Å	Aromatic
C14	C15	doub	1.37Å	1.43Å	Aromatic
C14	C16	sing	1.41Å	1.44Å	Aromatic
C15	N3	sing	1.36Å	1.42Å	Aromatic
C16	N2	doub	1.31Å	1.34Å	Aromatic
N2	C17	sing	1.34Å	1.37Å	Aromatic
C17	N3	sing	1.37Å	1.42Å	Aromatic
C17	C19	doub	1.40Å	1.40Å	Aromatic
N3	N4	sing	1.40Å	1.23Å	Aromatic
N4	C18	doub	1.31Å	1.34Å	Aromatic
C18	C19	sing	1.40Å	1.36Å	Aromatic
C19	C20	sing	1.48Å	1.44Å	Aromatic
C20	C21	doub	1.40Å	1.45Å	Aromatic
C20	C24	sing	1.40Å	1.45Å	Aromatic
C21	C22	sing	1.38Å	1.42Å	Aromatic
C22	N5	doub	1.32Å	1.37Å	Aromatic
N5	C23	sing	1.32Å	1.37Å	Aromatic
C23	C24	doub	1.38Å	1.43Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N1	114.1°	109.5°
C1	C2	C3	112.3°	109.3°
C2	C1	H1	107.9°	109.5°
C2	C1	H1A	106.9°	109.5°
C1	C2	H2	108.5°	109.5°
C1	C2	H2A	107.9°	109.5°
C1	N1	C5	115.2°	111.2°
C1	N1	C6	110.6°	111.0°
N1	C1	H1	108.0°	109.5°
N1	C1	H1A	106.9°	109.4°
C2	C3	C4	113.5°	109.2°
C3	C2	H2	108.6°	109.5°
C3	C2	H2A	107.9°	109.5°
C2	C3	H3	108.1°	109.6°
C2	C3	H3A	107.2°	109.5°
C3	C4	C5	114.5°	109.3°
C4	C3	H3	108.1°	109.6°
C4	C3	H3A	107.2°	109.5°
C3	C4	H4	107.8°	109.5°
C3	C4	H4A	106.7°	109.5°
C4	C5	N1	111.0°	109.5°
C5	C4	H4	107.8°	109.5°
C5	C4	H4A	106.7°	109.5°
C4	C5	H5	109.0°	109.4°
C4	C5	H5A	108.6°	109.5°
C5	N1	C6	109.0°	111.0°
N1	C5	H5	109.0°	109.5°
N1	C5	H5A	108.6°	109.5°
N1	C6	C7	109.4°	109.5°
N1	C6	H6	109.5°	109.5°
N1	C6	H6A	109.5°	109.5°
C6	C7	O1	111.1°	109.5°
C7	C6	H6	109.5°	109.5°
C7	C6	H6A	109.5°	109.5°
C6	C7	H7	108.9°	109.4°
C6	C7	H7A	108.6°	109.5°
C7	O1	C8	117.6°	117.0°
O1	C7	H7	108.9°	109.5°
O1	C7	H7A	108.6°	109.5°
O1	C8	C9	123.4°	120.0°
O1	C8	C11	115.8°	119.9°
C9	C8	C11	120.8°	120.1°
C8	C9	C10	119.4°	120.1°
C8	C9	H9	120.3°	119.9°
C8	C11	C12	119.3°	120.1°
C8	C11	H11	120.4°	120.0°
C9	C10	C13	121.5°	120.0°
C10	C9	H9	120.3°	120.0°
C9	C10	H10	119.2°	120.0°
C10	C13	C12	117.2°	119.8°
C10	C13	C14	121.6°	120.1°
C13	C10	H10	119.3°	120.0°
C11	C12	C13	121.7°	119.9°
C12	C11	H11	120.3°	119.9°
C11	C12	H12	119.1°	120.1°
C12	C13	C14	121.2°	120.1°
C13	C12	H12	119.1°	120.0°
C13	C14	C15	123.0°	120.4°
C13	C14	C16	122.4°	120.4°
C15	C14	C16	114.6°	119.2°
C14	C15	N3	121.9°	119.0°
C14	C15	H15	119.1°	120.5°
C14	C16	N2	123.1°	120.1°
C14	C16	H16	118.4°	120.0°
C15	N3	C17	119.1°	119.8°
C15	N3	N4	132.0°	132.2°
N3	C15	H15	119.1°	120.5°
C16	N2	C17	122.5°	121.0°
N2	C16	H16	118.5°	120.0°
N2	C17	N3	118.9°	120.9°
N2	C17	C19	134.8°	132.4°
N3	C17	C19	106.3°	106.7°
C17	N3	N4	108.9°	108.0°
C17	C19	C18	103.5°	107.2°
C17	C19	C20	127.3°	126.4°
N3	N4	C18	110.8°	109.2°
N4	C18	C19	110.5°	108.9°
N4	C18	H18	124.7°	125.5°
C18	C19	C20	129.2°	126.4°
C19	C18	H18	124.7°	125.6°
C19	C20	C21	119.9°	120.9°
C19	C20	C24	121.4°	121.0°
C21	C20	C24	118.7°	118.2°
C20	C21	C22	119.4°	119.0°
C20	C21	H21	120.3°	120.5°
C20	C24	C23	119.5°	119.0°
C20	C24	H24	120.2°	120.5°
C21	C22	N5	118.5°	120.9°
C22	C21	H21	120.3°	120.5°
C21	C22	H22	120.8°	119.5°
C22	N5	C23	125.6°	122.1°
N5	C22	H22	120.7°	119.6°
N5	C23	C24	118.3°	120.9°
N5	C23	H23	120.9°	119.6°
C24	C23	H23	120.8°	119.6°
C23	C24	H24	120.2°	120.5°
H1	C1	H1A	113.2°	109.5°
H2	C2	H2A	111.7°	109.6°
H3	C3	H3A	112.7°	109.5°
H4	C4	H4A	113.5°	109.6°
H5	C5	H5A	110.7°	109.5°
H6	C6	H6A	109.4°	109.4°
H7	C7	H7A	110.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N1	H1	120.0°	120.0°
C2	C1	N1	H1A	117.9°	120.0°
C1	C2	C3	H2	120.0°	119.9°
C1	C2	C3	H2A	118.8°	120.0°
C1	C2	C3	C4	46.2°	57.7°
C2	C1	N1	C5	50.9°	61.8°
C2	C1	N1	C6	175.0°	174.1°
C2	C1	H1	H1A	118.1°	120.1°
C1	C2	H2	H2A	118.8°	120.1°
C1	C2	C3	H3	166.2°	62.3°
C1	C2	C3	H3A	72.0°	177.6°
N1	C1	C2	C3	1.9°	59.2°
C1	N1	C5	C4	55.4°	61.7°
C1	N1	C5	C6	125.0°	124.1°
C1	N1	C6	C7	139.1°	170.0°
N1	C1	H1	H1A	118.1°	119.9°
N1	C1	C2	H2	118.1°	179.1°
N1	C1	C2	H2A	120.7°	60.8°
C1	N1	C5	H5	64.6°	58.2°
C1	N1	C5	H5A	174.8°	178.3°
C1	N1	C6	H6	19.1°	50.0°
C1	N1	C6	H6A	100.8°	70.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	118.2°	119.9°
C2	C3	C4	C5	41.5°	57.7°
C3	C2	C1	H1	118.1°	179.2°
C3	C2	C1	H1A	119.9°	60.8°
C3	C2	H2	H2A	118.9°	120.1°
C2	C3	H3	H3A	118.4°	120.1°
C2	C3	C4	H4	78.5°	177.6°
C2	C3	C4	H4A	159.3°	62.2°
C3	C4	C5	H4	120.0°	119.9°
C3	C4	C5	H4A	117.8°	119.9°
C3	C4	C5	N1	8.0°	59.2°
C4	C3	C2	H2	73.8°	177.6°
C4	C3	C2	H2A	165.0°	62.3°
C4	C3	H3	H3A	118.3°	120.1°
C3	C4	H4	H4A	117.9°	120.1°
C3	C4	C5	H5	112.0°	60.8°
C3	C4	C5	H5A	127.4°	179.2°
C4	C5	N1	H5	120.0°	120.0°
C4	C5	N1	H5A	119.4°	120.0°
C4	C5	N1	C6	179.7°	174.2°
C5	C4	C3	H3	161.5°	62.3°
C5	C4	C3	H3A	76.7°	177.5°
C5	C4	H4	H4A	118.0°	120.1°
C4	C5	H5	H5A	119.4°	120.0°
C5	N1	C6	C7	93.3°	65.8°
C5	N1	C1	H1	170.9°	178.2°
C5	N1	C1	H1A	67.0°	58.2°
N1	C5	C4	H4	128.0°	179.1°
N1	C5	C4	H4A	109.7°	60.8°
N1	C5	H5	H5A	119.4°	120.0°
C5	N1	C6	H6	146.7°	174.2°
C5	N1	C6	H6A	26.8°	54.2°
N1	C6	C7	H6	120.0°	120.0°
N1	C6	C7	H6A	120.0°	120.0°
N1	C6	C7	O1	178.7°	65.0°
C6	N1	C1	H1	65.0°	54.1°
C6	N1	C1	H1A	57.1°	65.8°
C6	N1	C5	H5	60.3°	65.8°
C6	N1	C5	H5A	60.3°	54.2°
N1	C6	H6	H6A	120.0°	120.0°
N1	C6	C7	H7	61.3°	175.0°
N1	C6	C7	H7A	59.4°	55.0°
C6	C7	O1	H7	120.0°	120.0°
C6	C7	O1	H7A	119.3°	120.0°
C6	C7	O1	C8	121.5°	180.0°
C7	C6	H6	H6A	120.1°	120.0°
C6	C7	H7	H7A	119.3°	119.9°
C7	O1	C8	C9	46.5°	180.0°
C7	O1	C8	C11	133.3°	0.3°
O1	C7	C6	H6	58.7°	55.0°
O1	C7	C6	H6A	61.3°	174.9°
O1	C7	H7	H7A	119.3°	120.0°
O1	C8	C9	C11	179.8°	179.7°
O1	C8	C9	C10	179.7°	180.0°
O1	C8	C11	C12	179.8°	179.9°
C8	O1	C7	H7	118.6°	60.0°
C8	O1	C7	H7A	2.2°	60.0°
O1	C8	C9	H9	0.3°	0.1°
O1	C8	C11	H11	0.2°	0.0°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C13	0.2°	0.1°
C9	C8	C11	C12	0.0°	0.2°
C8	C9	C10	H10	179.8°	180.0°
C9	C8	C11	H11	180.0°	179.7°
C11	C8	C9	C10	0.1°	0.3°
C8	C11	C12	H11	180.0°	179.9°
C8	C11	C12	C13	0.0°	0.1°
C11	C8	C9	H9	179.9°	179.8°
C8	C11	C12	H12	180.0°	180.0°
C9	C10	C13	H10	180.0°	180.0°
C9	C10	C13	C12	0.2°	0.2°
C9	C10	C13	C14	179.5°	180.0°
C10	C13	C12	C11	0.1°	0.3°
C10	C13	C12	C14	179.3°	179.8°
C10	C13	C14	C15	174.7°	115.0°
C10	C13	C14	C16	4.7°	65.2°
C13	C10	C9	H9	179.8°	179.9°
C10	C13	C12	H12	179.9°	179.8°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	179.4°	179.9°
C12	C13	C14	C15	4.6°	64.8°
C12	C13	C14	C16	176.0°	115.0°
C12	C13	C10	H10	179.8°	179.7°
C13	C12	C11	H11	180.0°	180.0°
C13	C14	C15	C16	179.4°	179.8°
C13	C14	C15	N3	179.2°	180.0°
C13	C14	C16	N2	179.2°	180.0°
C14	C13	C10	H10	0.5°	0.0°
C14	C13	C12	H12	0.6°	0.0°
C13	C14	C15	H15	0.8°	0.1°
C13	C14	C16	H16	0.8°	0.0°
C14	C15	N3	H15	180.0°	179.9°
C15	C14	C16	N2	0.3°	0.2°
C14	C15	N3	C17	0.0°	0.0°
C14	C15	N3	N4	179.8°	180.0°
C15	C14	C16	H16	179.7°	179.8°
C16	C14	C15	N3	0.2°	0.2°
C14	C16	N2	H16	180.0°	180.0°
C14	C16	N2	C17	0.1°	0.0°
C16	C14	C15	H15	179.8°	179.7°
C15	N3	C17	N2	0.2°	0.3°
C15	N3	C17	N4	179.8°	180.0°
C15	N3	C17	C19	179.6°	179.9°
C15	N3	N4	C18	179.7°	179.9°
C16	N2	C17	N3	0.2°	0.2°
C16	N2	C17	C19	179.5°	180.0°
N2	C17	N3	C19	179.8°	179.8°
N2	C17	N3	N4	179.9°	179.8°
N2	C17	C19	C18	180.0°	179.7°
N2	C17	C19	C20	0.2°	0.1°
C17	N2	C16	H16	179.9°	180.0°
C17	N3	N4	C18	0.1°	0.0°
N3	C17	C19	C18	0.3°	0.1°
N3	C17	C19	C20	179.5°	179.7°
C17	N3	C15	H15	180.0°	179.9°
C19	C17	N3	N4	0.3°	0.1°
C17	C19	C18	N4	0.2°	0.1°
C17	C19	C18	C20	179.8°	179.6°
C17	C19	C20	C21	179.9°	130.0°
C17	C19	C20	C24	0.4°	50.2°
C17	C19	C18	H18	179.8°	179.9°
N3	N4	C18	C19	0.1°	0.0°
N4	N3	C15	H15	0.2°	0.1°
N3	N4	C18	H18	180.0°	179.9°
N4	C18	C19	H18	180.0°	180.0°
N4	C18	C19	C20	179.5°	179.7°
C18	C19	C20	C21	0.2°	50.4°
C18	C19	C20	C24	179.3°	129.3°
C19	C20	C21	C24	179.5°	179.8°
C19	C20	C21	C22	179.6°	180.0°
C19	C20	C24	C23	179.5°	179.7°
C20	C19	C18	H18	0.4°	0.3°
C19	C20	C21	H21	0.4°	0.1°
C19	C20	C24	H24	0.5°	0.0°
C20	C21	C22	H21	180.0°	179.9°
C20	C21	C22	N5	0.1°	0.1°
C21	C20	C24	C23	0.0°	0.5°
C20	C21	C22	H22	179.9°	180.0°
C21	C20	C24	H24	180.0°	179.8°
C24	C20	C21	C22	0.0°	0.2°
C20	C24	C23	N5	0.1°	0.5°
C20	C24	C23	H24	180.0°	179.7°
C24	C20	C21	H21	180.0°	179.7°
C20	C24	C23	H23	179.9°	179.7°
C21	C22	N5	H22	180.0°	179.9°
C21	C22	N5	C23	0.1°	0.1°
C22	N5	C23	C24	0.0°	0.2°
N5	C22	C21	H21	179.9°	180.0°
C22	N5	C23	H23	180.0°	180.0°
N5	C23	C24	H23	180.0°	179.8°
C23	N5	C22	H22	179.9°	180.0°
N5	C23	C24	H24	180.0°	179.7°
H1	C1	C2	H2	121.9°	60.9°
H1	C1	C2	H2A	0.7°	59.2°
H1A	C1	C2	H2	0.1°	59.1°
H1A	C1	C2	H2A	121.3°	179.3°
H2	C2	C3	H3	46.2°	57.6°
H2	C2	C3	H3A	168.0°	62.5°
H2A	C2	C3	H3	75.0°	177.8°
H2A	C2	C3	H3A	46.8°	57.6°
H3	C3	C4	H4	41.5°	57.6°
H3	C3	C4	H4A	80.7°	177.8°
H3A	C3	C4	H4	163.3°	62.5°
H3A	C3	C4	H4A	41.1°	57.6°
H4	C4	C5	H5	8.0°	59.1°
H4	C4	C5	H5A	112.6°	60.9°
H4A	C4	C5	H5	130.3°	179.3°
H4A	C4	C5	H5A	9.6°	59.3°
H6	C6	C7	H7	178.7°	65.0°
H6	C6	C7	H7A	60.6°	175.0°
H6A	C6	C7	H7	58.7°	54.9°
H6A	C6	C7	H7A	179.4°	65.0°
H9	C9	C10	H10	0.2°	0.1°
H11	C11	C12	H12	0.1°	0.1°
H21	C21	C22	H22	0.1°	0.1°
H23	C23	C24	H24	0.0°	0.0°

Definition date:	2008-01-21
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZG4